[5-(6-methyl-2-pyridinyl)-1,3-oxazol-2-yl]-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanone

C26H22N2O2 — CID 123370863

IUPAC[5-(6-methyl-2-pyridinyl)-1,3-oxazol-2-yl]-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESCc1cccc(-c2cnc(C(=O)C3CCc4cc(-c5ccccc5)ccc4C3)o2)n1
InChIInChI=1S/C26H22N2O2/c1-17-6-5-9-23(28-17)24-16-27-26(30-24)25(29)22-13-12-20-14-19(10-11-21(20)15-22)18-7-3-2-4-8-18/h2-11,14,16,22H,12-13,15H2,1H3
InChIKeyIPSRAHVNOKNNLY-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.70
Rot. Bonds4

About [5-(6-methyl-2-pyridinyl)-1,3-oxazol-2-yl]-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanone

[5-(6-methyl-2-pyridinyl)-1,3-oxazol-2-yl]-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanone (PubChem CID 123370863) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is [5-(6-methyl-2-pyridinyl)-1,3-oxazol-2-yl]-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[5-(6-methyl-2-pyridinyl)-1,3-oxazol-2-yl]-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanone
PubChem CID123370863
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name[5-(6-methyl-2-pyridinyl)-1,3-oxazol-2-yl]-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanone
SMILESCc1cccc(-c2cnc(C(=O)C3CCc4cc(-c5ccccc5)ccc4C3)o2)n1
InChIInChI=1S/C26H22N2O2/c1-17-6-5-9-23(28-17)24-16-27-26(30-24)25(29)22-13-12-20-14-19(10-11-21(20)15-22)18-7-3-2-4-8-18/h2-11,14,16,22H,12-13,15H2,1H3
InChIKeyIPSRAHVNOKNNLY-UHFFFAOYSA-N
XLogP5.70
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(6-methyl-2-pyridinyl)-1,3-oxazol-2-yl]-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The IUPAC name of [5-(6-methyl-2-pyridinyl)-1,3-oxazol-2-yl]-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanone (CID 123370863) is [5-(6-methyl-2-pyridinyl)-1,3-oxazol-2-yl]-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanone.
What is the SMILES notation for [5-(6-methyl-2-pyridinyl)-1,3-oxazol-2-yl]-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The canonical SMILES for [5-(6-methyl-2-pyridinyl)-1,3-oxazol-2-yl]-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanone is Cc1cccc(-c2cnc(C(=O)C3CCc4cc(-c5ccccc5)ccc4C3)o2)n1.
What is the InChIKey of [5-(6-methyl-2-pyridinyl)-1,3-oxazol-2-yl]-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
The InChIKey is IPSRAHVNOKNNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-17-6-5-9-23(28-17)24-16-27-26(30-24)25(29)22-13-12-20-14-19(10-11-21(20)15-22)18-7-3-2-4-8-18/h2-11,14,16,22H,12-13,15H2,1H3.
What are the key properties of [5-(6-methyl-2-pyridinyl)-1,3-oxazol-2-yl]-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanone?
[5-(6-methyl-2-pyridinyl)-1,3-oxazol-2-yl]-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanone has a molecular weight of 394.47 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6-methyl-2-pyridinyl)-1,3-oxazol-2-yl]-(6-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl)methanone is sourced from PubChem (CID 123370863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).